In7Cu10

Traditional Materials TRA

MP-ID: mp-646039 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

In7Cu10

MP-ID

mp-646039

Elements

Sites

Density

8.7187

g/cm³

Volume

548.21

Å³

Cell a

6.6971

Cell b

9.1008

Cell c

9.1008

α Angle

81.28

β Angle

89.31

γ Angle

89.31

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
14.95	5.9276	1.4	(0,1,-1)
16.42	5.3980	1.3	(1,1,0)
23.41	3.7993	1.3	(0,2,-1)
23.95	3.7159	1.7	(1,0,-2)
25.81	3.4524	2.6	(0,2,2)
26.93	3.3106	1.7	(1,2,-1)
28.35	3.1484	3.9	(2,1,0)
28.91	3.0885	17.1	(1,2,2)
29.29	3.0490	1.6	(1,-2,-2)
29.80	2.9984	21.4	(0,3,0)
29.84	2.9941	17.5	(2,-1,-1)
29.95	2.9833	7.2	(0,3,1)
30.15	2.9638	20.5	(0,2,-2)
30.67	2.9152	3.6	(2,1,-1)
32.69	2.7390	6.0	(1,3,1)
32.85	2.7261	20.9	(1,0,-3)
33.04	2.7113	4.2	(1,-1,-3)
33.05	2.7102	4.2	(1,2,-2)
33.19	2.6990	12.2	(2,2,0)
33.53	2.6725	6.4	(2,0,-2)
33.71	2.6588	1.6	(2,2,1)
35.51	2.5283	1.1	(1,-1,3)
35.51	2.5283	1.1	(1,3,-1)
35.67	2.5174	3.3	(1,1,-3)

Get direct link

Energy Properties

Formation Energy/atom

-0.04382

eV/atom

Energy/atom

-15.72136

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.7214

eV/atom

Volume/atom

16.12

Å³

c/a Ratio

1.3589

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cu · 0.588

Element Family

N/A

Solute Fraction

0.412

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.826

Family

Cu-based Alloy

Matrix Element

Cu · 0.588

Related Tasks

Related computation task IDs (3)

aaacbayk aaadvejo aaaektqr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-646039

Reference Citation

The crystal structure and related material properties of In7Cu10 were obtained from the Materials Project database (MP-ID: mp-646039, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_In7Cu10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69709635
_cell_length_b   9.10077067
_cell_length_c   9.10077120
_cell_angle_alpha   81.28439588
_cell_angle_beta   89.31263065
_cell_angle_gamma   89.31263769
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In7Cu10
_chemical_formula_sum   'In14 Cu20'
_cell_volume   548.20690616
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  In  In0  1  0.38560140  0.87999948  0.43113542  1.0
  In  In1  1  0.28257755  0.46475098  0.46475098  1.0
  In  In2  1  0.19678440  0.15714218  0.70530906  1.0
  In  In3  1  0.61439860  0.12000052  0.56886458  1.0
  In  In4  1  0.06541116  0.76305390  0.76305390  1.0
  In  In5  1  0.80321560  0.29469094  0.84285782  1.0
  In  In6  1  0.49924204  0.83414407  0.83414407  1.0
  In  In7  1  0.80321560  0.84285782  0.29469094  1.0
  In  In8  1  0.61439860  0.56886458  0.12000052  1.0
  In  In9  1  0.50075796  0.16585593  0.16585593  1.0
  In  In10  1  0.19678440  0.70530906  0.15714218  1.0
  In  In11  1  0.71742245  0.53524902  0.53524902  1.0
  In  In12  1  0.93458884  0.23694610  0.23694610  1.0
  In  In13  1  0.38560140  0.43113542  0.87999948  1.0
  Cu  Cu14  1  0.84765394  0.78242704  0.00424772  1.0
  Cu  Cu15  1  0.93982002  0.29303234  0.51796385  1.0
  Cu  Cu16  1  0.50000000  0.88822814  0.11177186  1.0
  Cu  Cu17  1  0.27530112  0.18176279  0.40803317  1.0
  Cu  Cu18  1  0.15234606  0.21757296  0.99575228  1.0
  Cu  Cu19  1  0.93982002  0.51796385  0.29303234  1.0
  Cu  Cu20  1  0.72469888  0.59196683  0.81823721  1.0
  Cu  Cu21  1  0.50000000  0.11177186  0.88822814  1.0
  Cu  Cu22  1  0.06017998  0.70696766  0.48203615  1.0
  Cu  Cu23  1  0.15234606  0.99575228  0.21757296  1.0
  Cu  Cu24  1  0.72469888  0.81823721  0.59196683  1.0
  Cu  Cu25  1  0.83314000  0.04891752  0.04891752  1.0
  Cu  Cu26  1  -0.00000000  -0.00000000  0.50000000  1.0
  Cu  Cu27  1  0.60826316  0.35071727  0.35071727  1.0
  Cu  Cu28  1  0.27530112  0.40803317  0.18176279  1.0
  Cu  Cu29  1  0.84765394  0.00424772  0.78242704  1.0
  Cu  Cu30  1  0.06017998  0.48203615  0.70696766  1.0
  Cu  Cu31  1  0.16686000  0.95108248  0.95108248  1.0
  Cu  Cu32  1  -0.00000000  0.50000000  -0.00000000  1.0
  Cu  Cu33  1  0.39173684  0.64928273  0.64928273  1.0

Get direct link